N-(3,5-dimethylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidin-4-amine

C20H26N2O3S — CID 4521391

IUPACN-(3,5-dimethylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidin-4-amine
SMILESCOc1ccc(S(=O)(=O)N2CCC(Nc3cc(C)cc(C)c3)CC2)cc1
InChIInChI=1S/C20H26N2O3S/c1-15-12-16(2)14-18(13-15)21-17-8-10-22(11-9-17)26(23,24)20-6-4-19(25-3)5-7-20/h4-7,12-14,17,21H,8-11H2,1-3H3
InChIKeyRDYRFEXAJIRMDL-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.58
Rot. Bonds5

About N-(3,5-dimethylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidin-4-amine

N-(3,5-dimethylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidin-4-amine (PubChem CID 4521391) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidin-4-amine
PubChem CID4521391
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC NameN-(3,5-dimethylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidin-4-amine
SMILESCOc1ccc(S(=O)(=O)N2CCC(Nc3cc(C)cc(C)c3)CC2)cc1
InChIInChI=1S/C20H26N2O3S/c1-15-12-16(2)14-18(13-15)21-17-8-10-22(11-9-17)26(23,24)20-6-4-19(25-3)5-7-20/h4-7,12-14,17,21H,8-11H2,1-3H3
InChIKeyRDYRFEXAJIRMDL-UHFFFAOYSA-N
XLogP3.58
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(4-methoxyphenyl)sulfonyl-N-phenylpyrrolidin-3-amine
CID 52872809
2-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]-4-methyl-1H-pyrimidin-6-one
CID 137058270
4-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine
CID 57482552
2-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]-4,5-dimethyl-1H-pyrimidin-6-one
CID 135719583
4-ethyl-2-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]-1H-pyrimidin-6-one
CID 136761470
methyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 737721
4-(4-methoxyphenyl)sulfonyl-1-[4-(4-methylphenyl)phenyl]sulfonylpiperidine
CID 90592085
1-[4-(4-methoxyphenyl)phenyl]sulfonyl-4-methylpiperidine
CID 66486087
2-methoxy-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]acetamide
CID 108562538
6-[[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]amino]pyridine-3-carbonitrile
CID 26046044
1-(4-methoxyphenyl)sulfonyl-4-(2-methylpropoxy)piperidine
CID 87024962
N-methyl-1-[4-(3-methylphenoxy)phenyl]sulfonylpiperidin-4-amine
CID 119979765

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidin-4-amine?
The IUPAC name of N-(3,5-dimethylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidin-4-amine (CID 4521391) is N-(3,5-dimethylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidin-4-amine.
What is the SMILES notation for N-(3,5-dimethylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidin-4-amine?
The canonical SMILES for N-(3,5-dimethylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidin-4-amine is COc1ccc(S(=O)(=O)N2CCC(Nc3cc(C)cc(C)c3)CC2)cc1.
What is the InChIKey of N-(3,5-dimethylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidin-4-amine?
The InChIKey is RDYRFEXAJIRMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-15-12-16(2)14-18(13-15)21-17-8-10-22(11-9-17)26(23,24)20-6-4-19(25-3)5-7-20/h4-7,12-14,17,21H,8-11H2,1-3H3.
What are the key properties of N-(3,5-dimethylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidin-4-amine?
N-(3,5-dimethylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidin-4-amine has a molecular weight of 374.51 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidin-4-amine is sourced from PubChem (CID 4521391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).